Abstract
The adsorption of carbon dioxide and carbon monoxide molecules on the magnetic cluster C4H8Ti4 was studied within the framework of Density Functional Theory. We have showed the adsorption of eight molecules, each of CO2 and CO on a single cluster-C4H8Ti4. We have discussed binding energy, charge transfer mechanism, change in dipole moment, and HOMO-LUMO analysis.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
